N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C8H14N2O3S — CID 65109815

IUPACN-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(O)CNC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-8(2,13)4-9-6(11)5-3-14-7(12)10-5/h5,13H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyOZSJXIHTCBKYOG-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.30
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 65109815) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID65109815
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(O)CNC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-8(2,13)4-9-6(11)5-3-14-7(12)10-5/h5,13H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyOZSJXIHTCBKYOG-UHFFFAOYSA-N
XLogP-0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
4,4-dimethyl-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]hexanoic acid
CID 65284544
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63253701
(4R)-N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119608653
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 62541103
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 115668887
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650
N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 61342320
(4R)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 119600037
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 65109815) is N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is CC(C)(O)CNC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is OZSJXIHTCBKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-8(2,13)4-9-6(11)5-3-14-7(12)10-5/h5,13H,3-4H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 65109815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).